Rehmapicrogenin
PubChem CID: 15693863
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| Compound Synonyms | Rehmapicrogenin, 135447-39-1, (3R)-3-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylic acid, SCHEMBL19462999, HY-N7630, AKOS040760775, FS-7349, AC-34158, DA-67143, CS-0134828, E88637 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C10H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IJTFWVKHFTZVSR-SSDOTTSWSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.827 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.788 |
| Compound Name | Rehmapicrogenin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1259074 |
| Inchi | InChI=1S/C10H16O3/c1-6-7(11)4-5-10(2,3)8(6)9(12)13/h7,11H,4-5H2,1-3H3,(H,12,13)/t7-/m1/s1 |
| Smiles | CC1=C(C(CC[C@H]1O)(C)C)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients